Phase stability, electronic, elastic and thermodynamic properties of Al-RE intermetallics in Mg-Al-RE alloy: A first principles study
Electronic structure and elastic properties of Al2Y, Al3Y, Al2Gd and Al3Gd phases were investigated by means of first-principles calculations from CASTEP program based on density functional theory (DFT). The ground state energy and elastic constants of each phase were calculated, the formation entha...
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| Autors principals: | , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
KeAi Communications Co., Ltd.
2015-09-01
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| Col·lecció: | Journal of Magnesium and Alloys |
| Matèries: | |
| Accés en línia: | http://www.sciencedirect.com/science/article/pii/S2213956715000596 |
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